AMYR 2: A new version of a computer program for pair potential calculation of molecular associations

Computer Physics Communications

Volumn 115, Issue 1, 1998, Pages 87-89

  Torrens, Francisco ^a   Rubio, Mercedes ^a   Sánchez Marín, José ^a  

^a UNIVERSITY OF VALENCIA   (Spain)

Author keywords

1 R expansion; Geometry optimization; Molecular associations; Pair potential; Vectorization

Indexed keywords

CONVERGENCE OF NUMERICAL METHODS; EIGENVALUES AND EIGENFUNCTIONS; ELECTROSTATICS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE;

HESSIAN EIGENVALUES; PAIR POTENTIAL CALCULATIONS; STATIONARY POINT ANALYSIS;

MOLECULAR PHYSICS;

EID: 0032300825     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0010-4655(98)00098-8     Document Type: Article

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